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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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benzenemethanol, 4-methyl-; alpha-Hydroxy-p-xylene; p-Methylbenzylalcohol; Benzyl alcohol, p-methyl-; 4-methylbenzenemethanol; p-Methylbenzylalkohol [German]; p-Methyl benzyl alcohol; Benzenemethanol, 4-methyl-; p-Methylbenzyl alcohol; P-METHYLBENZYL ALCOHOL; p-Tolyl alcohol
Molecular Formula: C8 H10 O
Natural Isotopic Abundance Mass: 122.1644
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
canonical and isomeric SMILES: CC1=CC=C(C=C1)CO
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(4-methylphenyl)methanol
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773